Projected phonon DOSΒΆ

This example shows how to plot the projected phonon DOS of AlAs. See tutorial/lesson_rf2.html

  • ../_images/sphx_glr_plot_phonon_pjdos_001.png
  • ../_images/sphx_glr_plot_phonon_pjdos_002.png
  • ../_images/sphx_glr_plot_phonon_pjdos_003.png

Out:

/Users/gmatteo/git_repos/pymatgen/pymatgen/util/plotting.py:550: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
  plt.show()
/Users/gmatteo/git_repos/pymatgen/pymatgen/util/plotting.py:550: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
  plt.show()
/Users/gmatteo/git_repos/pymatgen/pymatgen/util/plotting.py:550: UserWarning: Matplotlib is currently using agg, which is a non-GUI backend, so cannot show the figure.
  plt.show()

from abipy.abilab import abiopen
import abipy.data as abidata

# Read the Phonon DOS from the netcdf file produced by anaddb with prtdos 2
# (alternatively one can use the shell and `abiopen.py OUT_PHDOS.nc -nb`
# to open the file in a jupyter notebook.
with abiopen(abidata.ref_file("trf2_5.out_PHDOS.nc")) as phdos_file:

    # Plot PJDOS.
    phdos_file.plot_pjdos_type(units="cm-1", title="AlAs type-projected phonon DOS")

    # To have the projection along the cartesian directions (summed over atomic types)
    phdos_file.plot_pjdos_cartdirs_type(units="Thz", stacked=True,
            title="Type-projected ph-DOS decomposed along the three Cartesian directions.")

    # To plot the PJDOS for all the inequivalent sites.
    phdos_file.plot_pjdos_cartdirs_site(view="inequivalent", stacked=True)

Total running time of the script: ( 0 minutes 0.599 seconds)

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